Structure of PDB 2fje Chain B Binding Site BS01

Receptor Information
>2fje Chain B (length=149) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSFVNPEKCDGCKALERTACEYICPNDLMTLDKEKMKAYNREPDMCWECY
SCVKMCPQGAIDVRGYVDYSPLGGACVPMRGTSDIMWTVKYRNGKVLRFK
FAIRTTPWGSIQPFEGFPEPTEEALKSELLAGEPEIIGTSEFPQVKKKA
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2fje Chain B Residue 1100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fje Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S703 C725 P726 L729 M730 C747 E749 C750 Y751 C753
Binding residue
(residue number reindexed from 1)		S2 C24 P25 L28 M29 C46 E48 C49 Y50 C52
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W748
Catalytic site (residue number reindexed from 1) W47
Enzyme Commision number 1.8.99.2: adenylyl-sulfate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:2fje, PDBe:2fje, PDBj:2fje
PDBsum2fje
PubMed16503650
UniProtO28604

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